CID 37866

Mp 17

Structural Information

Molecular Formula
C17H25NO2
SMILES
C1CCN(CC1)CCCOC(=O)C2C3C2C=CC=CC3
InChI
InChI=1S/C17H25NO2/c19-17(16-14-8-3-1-4-9-15(14)16)20-13-7-12-18-10-5-2-6-11-18/h1,3-4,8,14-16H,2,5-7,9-13H2
InChIKey
ULAWTYNENKVUBP-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 161.0
[M+Na]+ 298.177758 164.5
[M-H]- 274.181264 167.0
[M+NH4]+ 293.222363 170.9
[M+K]+ 314.151698 164.8
[M+H-H2O]+ 258.185800 153.5
[M+HCOO]- 320.186741 176.8
[M+CH3COO]- 334.202391 202.7
[M+Na-2H]- 296.163206 163.5
[M]+ 275.18799142 158.5
[M]- 275.18908858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.